CAS 153537-74-7

1H-Tetrazole-5-butanoic acid, α-[[4-[[(1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-fluorobenzoyl]amino]-, (αR)-

Description:

1H-Tetrazole-5-butanoic acid, α-[[4-[[(1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-fluorobenzoyl]amino]-, (αR)- is a complex organic compound characterized by its tetrazole ring, which is a five-membered heterocyclic structure containing four nitrogen atoms and one carbon atom. This compound features a butanoic acid moiety, contributing to its acidic properties. The presence of a quinazolinyl group indicates potential biological activity, as quinazoline derivatives are often associated with pharmacological effects. The specific configuration denoted by (αR) suggests a particular stereochemistry that may influence the compound's interactions and efficacy in biological systems. Additionally, the incorporation of a fluorobenzoyl group and a propynylamino substituent may enhance its lipophilicity and binding affinity to biological targets. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of therapeutic agents. However, detailed studies would be necessary to fully elucidate its properties and biological activities.

Formula: C₂₆H₂₅FN₈O₄

InChI: InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m1/s1

InChI key: InChIKey=IEJSCSAMMLUINT-OAQYLSRUSA-N

SMILES: O=C1C=2C(=CC(C)=C(CN(CC#C)C3=CC(F)=C(C(N[C@H](CCC=4NN=NN4)C(O)=O)=O)C=C3)C2)NC(C)=N1

Synonyms:

• 1H-Tetrazole-5-butanoic acid, α-[[4-[[(1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-fluorobenzoyl]amino]-, (R)-
• 1H-Tetrazole-5-butanoic acid, α-[[4-[[(1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-fluorobenzoyl]amino]-, (αR)-

(R)-Plevitrexed

CAS: 153537-74-7

(R)-Plevitrexed is a less active enantiomer of Plevitrexed. Plevitrexed is an orally active and potent inhibitor of thymidylate synthase (TS).

Formula: C₂₆H₂₅FN₈O₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 532.536

Ref: TM-T12635